5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one

C15H26N4O2 — CID 114394996

IUPAC5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(NC)C2CCOC2)c(=O)c1
InChIInChI=1S/C15H26N4O2/c1-4-18(5-2)13-8-15(20)19(17-9-13)10-14(16-3)12-6-7-21-11-12/h8-9,12,14,16H,4-7,10-11H2,1-3H3
InChIKeyPCPABKNJOLXDED-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.71
Rot. Bonds7

About 5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one

5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one (PubChem CID 114394996) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one
PubChem CID114394996
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(NC)C2CCOC2)c(=O)c1
InChIInChI=1S/C15H26N4O2/c1-4-18(5-2)13-8-15(20)19(17-9-13)10-14(16-3)12-6-7-21-11-12/h8-9,12,14,16H,4-7,10-11H2,1-3H3
InChIKeyPCPABKNJOLXDED-UHFFFAOYSA-N
XLogP0.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one
CID 114397134
5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397688
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione
CID 104747969
5-methyl-1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-2-one
CID 104747676
1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 104747686
2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one
CID 114394356
5-(diethylamino)-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 114397695
2-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748234
2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]phthalazin-1-one
CID 104747156
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one (CID 114394996) is 5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one is CCN(CC)c1cnn(CC(NC)C2CCOC2)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The InChIKey is PCPABKNJOLXDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-18(5-2)13-8-15(20)19(17-9-13)10-14(16-3)12-6-7-21-11-12/h8-9,12,14,16H,4-7,10-11H2,1-3H3.
What are the key properties of 5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one has a molecular weight of 294.40 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 114394996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).